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High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State
The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of
Weak Interactions and Correlation of Molecular Conformation with Packing in Solid
State” consist of five chapters. Chapter 1 is a brief ...
Design of Novel NMR Methodologies to address diverse challenging problems in Chemistry
The thesis entitled “Design of Novel NMR Methodologies to address diverse challenging problems in Chemistry” discusses the design of number of novel NMR methodologies which have broader utility and, also the extensive ...
Studies on switching of J and H aggregates in Donor-Acceptor molecular materials
The aggregation of molecular materials plays a central role in determining their functional
properties. In the aggregated state, conjugated chromophores may exhibit enhanced
emission, in comparison to their dilute ...
Studies on the synthesis and applications of I-III-VI2 semiconductor nanocrystals
Nanomaterials have been a topic of extensive research for the past several decades. This is because their properties act as a bridge between their bulk and atomic counterparts. Broadly, nanoparticles can be characterized ...
Computational Studies of Hydrophobic Force Law, Dynamics in Model Asymmetric Binary Mixtures, and Contribution to One and Two Dimensional Infrared Spectroscopy
Depending on the system and phenomena of interest, the thesis has been partitioned into three major
parts. The first part is on the theoretical infrared spectroscopic studies and vibrational phase relaxation of
supercritical ...
Studies on Quinoidal Diketopyrrolopyrrole Derivatives and their Applications
Quinoidal π-conjugated molecules have endowed significant attention over the years especially due to inherent high electron affinity and amphiprotic redox behavior, establishing their application as versatile active material ...
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ...
Transition metal nanoparticles embedded carbonaceous framework for electrocatalysis and zinc air batteries
As the world’s energy demand grows and environmental challenges mount, there is a growing
push to find sustainable energy sources and efficient solutions for energy conversion, such as water
splitting, fuel cells, ...
Exploring the Redox Processes and the Associated Chemical Reactions in Next Generation Rechargeable Li-O2 Batteries
The exceptionally high specific energy of Li-O2 rechargeable batteries makes them promising as a next-generation energy storage technology, beyond the conventional intercalation battery systems such as the lithium-ion ...

